Information card for entry 4070643

Structure parameters

• Formula: C48 H52 Cu2 N4 O4
• Calculated formula: C48 H52 Cu2 N4 O4
• SMILES: C12C(C=C3C(C=2)=[N](c2c(cccc2C)C)[Cu]2(OC(=CC(=[O]2)C)C)N3c2c(cccc2C)C)=[N]([Cu]2(OC(=CC(=[O]2)C)C)N1c1c(cccc1C)C)c1c(cccc1C)C
• Title of publication: Binuclear Nickel and Copper Complexes with Bridging 2,5-Diamino-1,4-benzoquinonediimines: Synthesis, Structures, and Catalytic Olefin Polymerization
• Authors of publication: Huang, Yuan-Biao; Tang, Guang-Rong; Jin, Gui-Ying; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 259
• a: 7.688 ± 0.003 Å
• b: 11.813 ± 0.005 Å
• c: 13.804 ± 0.005 Å
• α: 114.828 ± 0.006°
• β: 99.704 ± 0.006°
• γ: 90.174 ± 0.006°
• Cell volume: 1117.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No